[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine

C14H12BrClFNO — CID 114318396

IUPAC[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine
SMILESNCc1c(Cl)cccc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C14H12BrClFNO/c15-10-4-9(5-11(17)6-10)8-19-14-3-1-2-13(16)12(14)7-18/h1-6H,7-8,18H2
InChIKeyCRCCPEVZTJNSKB-UHFFFAOYSA-N
MW344.61 g/mol
LogP4.28
Rot. Bonds4

About [2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine

[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine (PubChem CID 114318396) has the molecular formula C14H12BrClFNO and a molecular weight of 344.61 g/mol. Its IUPAC name is [2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine
PubChem CID114318396
Molecular FormulaC14H12BrClFNO
Molecular Weight344.61 g/mol
Exact Mass342.98
IUPAC Name[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine
SMILESNCc1c(Cl)cccc1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C14H12BrClFNO/c15-10-4-9(5-11(17)6-10)8-19-14-3-1-2-13(16)12(14)7-18/h1-6H,7-8,18H2
InChIKeyCRCCPEVZTJNSKB-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.61
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methyl]ethanamine
CID 114319001
3-[[2-(aminomethyl)-3-chlorophenoxy]methyl]-5-fluorobenzonitrile
CID 114318352
4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline
CID 79705494
1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 105407334
1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene
CID 79701275
2-[2-[(3-bromophenyl)methoxy]-6-chlorophenyl]ethanamine
CID 114321655
[2-chloro-6-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methanamine
CID 114848279
3-[(3-chloro-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 116688699
2-[(3-bromo-5-fluorophenyl)methoxy]-4-chloroaniline
CID 79703808
[2-chloro-6-[(3,4-dimethylphenyl)methoxy]phenyl]methanamine
CID 114318594
1-bromo-3-[(3-chlorophenoxy)methyl]-5-fluorobenzene
CID 79701274
[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine
CID 114318379

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine?
The IUPAC name of [2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine (CID 114318396) is [2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine.
What is the SMILES notation for [2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine?
The canonical SMILES for [2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine is NCc1c(Cl)cccc1OCc1cc(F)cc(Br)c1.
What is the InChIKey of [2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine?
The InChIKey is CRCCPEVZTJNSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO/c15-10-4-9(5-11(17)6-10)8-19-14-3-1-2-13(16)12(14)7-18/h1-6H,7-8,18H2.
What are the key properties of [2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine?
[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine has a molecular weight of 344.61 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine is sourced from PubChem (CID 114318396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).